(4R,6R)-4,6-bis(hydroxymethyl)-1,3-dioxan-5-one

C6H10O5 — CID 119097386

IUPAC(4R,6R)-4,6-bis(hydroxymethyl)-1,3-dioxan-5-one
SMILESO=C1[C@@H](CO)OCO[C@@H]1CO
InChIInChI=1S/C6H10O5/c7-1-4-6(9)5(2-8)11-3-10-4/h4-5,7-8H,1-3H2/t4-,5-/m1/s1
InChIKeyHNHHIQANJMMJDT-RFZPGFLSSA-N
MW162.14 g/mol
LogP-1.72
Rot. Bonds2

About (4R,6R)-4,6-bis(hydroxymethyl)-1,3-dioxan-5-one

(4R,6R)-4,6-bis(hydroxymethyl)-1,3-dioxan-5-one (PubChem CID 119097386) has the molecular formula C6H10O5 and a molecular weight of 162.14 g/mol. Its IUPAC name is (4R,6R)-4,6-bis(hydroxymethyl)-1,3-dioxan-5-one.

Molecular Properties

Compound Name(4R,6R)-4,6-bis(hydroxymethyl)-1,3-dioxan-5-one
PubChem CID119097386
Molecular FormulaC6H10O5
Molecular Weight162.14 g/mol
Exact Mass162.05
IUPAC Name(4R,6R)-4,6-bis(hydroxymethyl)-1,3-dioxan-5-one
SMILESO=C1[C@@H](CO)OCO[C@@H]1CO
InChIInChI=1S/C6H10O5/c7-1-4-6(9)5(2-8)11-3-10-4/h4-5,7-8H,1-3H2/t4-,5-/m1/s1
InChIKeyHNHHIQANJMMJDT-RFZPGFLSSA-N
XLogP-1.72
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.14
LogP ≤ 5-1.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4R,6R)-4,6-bis(hydroxymethyl)-1,3-dioxan-5-one?
The IUPAC name of (4R,6R)-4,6-bis(hydroxymethyl)-1,3-dioxan-5-one (CID 119097386) is (4R,6R)-4,6-bis(hydroxymethyl)-1,3-dioxan-5-one.
What is the SMILES notation for (4R,6R)-4,6-bis(hydroxymethyl)-1,3-dioxan-5-one?
The canonical SMILES for (4R,6R)-4,6-bis(hydroxymethyl)-1,3-dioxan-5-one is O=C1[C@@H](CO)OCO[C@@H]1CO.
What is the InChIKey of (4R,6R)-4,6-bis(hydroxymethyl)-1,3-dioxan-5-one?
The InChIKey is HNHHIQANJMMJDT-RFZPGFLSSA-N. The full InChI is InChI=1S/C6H10O5/c7-1-4-6(9)5(2-8)11-3-10-4/h4-5,7-8H,1-3H2/t4-,5-/m1/s1.
What are the key properties of (4R,6R)-4,6-bis(hydroxymethyl)-1,3-dioxan-5-one?
(4R,6R)-4,6-bis(hydroxymethyl)-1,3-dioxan-5-one has a molecular weight of 162.14 g/mol, XLogP of -1.72, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6R)-4,6-bis(hydroxymethyl)-1,3-dioxan-5-one is sourced from PubChem (CID 119097386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).